@<TRIPOS>MOLECULE
76972373
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.6223     2.1434     1.5973	S	1	noname	0.0274
2	O1    -2.2688     0.1252    -0.9289	O.3	1	noname	-0.2061
3	O2    -0.2924     1.1081    -1.3764	O.2	1	noname	-0.2541
4	O3    -6.2644     1.9622     1.9537	O.3	1	noname	-0.1451
5	O4    -4.3602     3.6080     1.0365	O.2	1	noname	-0.1603
6	O5    -3.7655     1.9203     2.9179	O.2	1	noname	-0.1603
7	C1     1.6244    -2.3149    -2.7008	C.3	1	noname	-0.0528
8	C2     3.0764    -2.1009    -3.1330	C.3	1	noname	-0.0533
9	C3     1.0295    -0.9844    -2.2352	C.3	1	noname	-0.0439
10	C4     3.6713    -3.4314    -3.5986	C.3	1	noname	-0.0535
11	C5     5.1234    -3.2174    -4.0307	C.3	1	noname	-0.0561
12	C6    -0.4225    -1.1984    -1.8031	C.3	1	noname	0.0337
13	C7     5.7183    -4.5479    -4.4963	C.3	1	noname	-0.0654
14	C8    -0.9902     0.0712    -1.3588	C.2	1	noname	0.1403
15	C9    -2.6492     1.0817     0.0493	C.3	1	noname	0.0750
16	C10    -4.1402     0.9310     0.3573	C.3	1	noname	0.1062
17	H1     1.0471    -2.6961    -3.5431	H	1	noname	0.0267
18	H2     1.5911    -3.0340    -1.8824	H	1	noname	0.0267
19	H3     3.1097    -1.3818    -3.9514	H	1	noname	0.0266
20	H4     3.6538    -1.7197    -2.2907	H	1	noname	0.0266
21	H5     1.0628    -0.2653    -3.0537	H	1	noname	0.0272
22	H6     1.6068    -0.6032    -1.3929	H	1	noname	0.0272
23	H7     3.0940    -3.8126    -4.4409	H	1	noname	0.0266
24	H8     3.6381    -4.1505    -2.7801	H	1	noname	0.0266
25	H9     5.1567    -2.4982    -4.8491	H	1	noname	0.0264
26	H10     5.7007    -2.8362    -3.1884	H	1	noname	0.0264
27	H11    -0.9999    -1.5796    -2.6454	H	1	noname	0.0372
28	H12    -0.4558    -1.9176    -0.9847	H	1	noname	0.0372
29	H13     6.7527    -4.3954    -4.8042	H	1	noname	0.0230
30	H14     5.1410    -4.9291    -5.3386	H	1	noname	0.0230
31	H15     5.6850    -5.2670    -3.6779	H	1	noname	0.0230
32	H16    -2.4560     2.0854    -0.3295	H	1	noname	0.0587
33	H17    -2.0719     0.9196     0.9596	H	1	noname	0.0587
34	H18    -4.7175     1.0931    -0.5531	H	1	noname	0.0512
35	H19    -4.3334    -0.0727     0.7361	H	1	noname	0.0512
36	H20    -6.3804     1.2320     2.5969	H	1	noname	0.2384
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	16	1
5	2	14	1
6	2	15	1
7	3	14	2
8	4	36	1
9	7	8	1
10	7	9	1
11	7	17	1
12	7	18	1
13	8	10	1
14	8	19	1
15	8	20	1
16	9	12	1
17	9	21	1
18	9	22	1
19	10	11	1
20	10	23	1
21	10	24	1
22	11	13	1
23	11	25	1
24	11	26	1
25	12	14	1
26	12	27	1
27	12	28	1
28	13	29	1
29	13	30	1
30	13	31	1
31	15	16	1
32	15	32	1
33	15	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1